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Compound Detail

CHEMBL4751586

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c1cc2c(cnc3c4cc5c(cc4ccc23)OCO5)c2c1OCO2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4751586
Phase Preclinical
Structure Type MOL
InChI Key CNXVDVMAYXLWPD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

317.3
MW (Da)
4.00
ALogP
5
HBA
0
HBD
49.8
PSA (Ų)
0.46
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C19H11NO4
MW 317.30
Aromatic Rings 4
Heavy Atoms 24
NP-Likeness 0.53

Literature References

PubMed DOI Target Context # Activities
33479636 10.1039/c9md00494g A549 1
33479636 10.1039/c9md00494g NCI-H1975 1

Data from ChEMBL 36 via Core Engine